2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine

C19H22ClFN2 — CID 110826413

IUPAC2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESFc1ccccc1CNCC(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H22ClFN2/c20-17-9-7-15(8-10-17)19(23-11-3-4-12-23)14-22-13-16-5-1-2-6-18(16)21/h1-2,5-10,19,22H,3-4,11-14H2
InChIKeyFHLYANKKDFXBCR-UHFFFAOYSA-N
MW332.85 g/mol
LogP4.41
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine

2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 110826413) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID110826413
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC Name2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESFc1ccccc1CNCC(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H22ClFN2/c20-17-9-7-15(8-10-17)19(23-11-3-4-12-23)14-22-13-16-5-1-2-6-18(16)21/h1-2,5-10,19,22H,3-4,11-14H2
InChIKeyFHLYANKKDFXBCR-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854273
N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119107159
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 110826713
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207
1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825336
N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55378168
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 110826413) is 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine is Fc1ccccc1CNCC(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is FHLYANKKDFXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2/c20-17-9-7-15(8-10-17)19(23-11-3-4-12-23)14-22-13-16-5-1-2-6-18(16)21/h1-2,5-10,19,22H,3-4,11-14H2.
What are the key properties of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine?
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 332.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 110826413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).